pyrene; triethylazanium; 4,4,4-triphenylbutylboron(1-)

Systemtic Name: pyrene; triethylazanium; 4,4,4-triphenylbutylboron(1-) Openeye Name: pyrene; triethylammonium; 4,4,4-triphenylbutylboron(1-) CAS Name: pyrene; triethylammonium; 4,4,4-triphenylbutylboron(1-) IUPAC Name: pyrene; triethylazanium; 4,4,4-triphenylbutylboron(1-) Traditional Name: pyrene; triethylammonium; 4,4,4-triphenylbutylboron(1-) Formula: C44H47BN MolecularWeight: 600.66168

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Descriptors Computed from Structure

Canonical SMILES:

[B-]CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC[NH+](CC)CC.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

Isomeric SMILES

[B-]CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC[NH+](CC)CC.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

InChI

InChI=1S/C22H21B.C16H10.C6H15N/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-4-7(5-2)6-3/h1-9,11-16H,10,17-18H2;1-10H;4-6H2,1-3H3/q-1;;/p+1